SCHEMBL728117

SCHEMBL728117

Nc1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.64
KMT2A Q03164 2/20 0.58
FABP5 Q01469 3/20 0.47
FABP7 O15540 2/20 0.47
ABL1 P00519 1/20 0.44
KIT P10721 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP3 P42574 2/20 0.43
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
CASP6 P55212 1/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12071195 0.92 EPHX2 (0.56) EPHX2KMT2AFABP5FABP7ABL1
SCHEMBL8366872 0.88 EPHX2 (0.75) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL30094161 0.87 EPHX2 (0.74) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL17151439 0.87 EPHX2 (0.74) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL19683052 0.87 EPHX2 (0.59) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL23212115 0.86 EPHX2 (0.65) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL727842 0.86 EPHX2 (0.62) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL31607197 0.86 EPHX2 (0.65) EPHX2KMT2AFABP5FABP7CA1
SCHEMBL14913645 0.86 EPHX2 (0.64) EPHX2KMT2AFABP5FABP7CASP3
SCHEMBL8366871 0.86 EPHX2 (0.64) EPHX2KMT2ACASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-08-04 US disclosed
US-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE - CNRS (FR) 2016-08-04 US disclosed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
WO-2014184503-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF UNIVERSITE DE STRASBOURG (FR) 2014-11-20 WO disclosed
US-8877961-B2 Bridged monobactam intermediates BASILEA PHARMACEUTICA AG (CH) 2014-11-04 US disclosed
US-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2013-10-17 US disclosed
EP-2484680-B1 Useful Combinations of Monobactam Antibiotics with beta-Lac-tamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2013-06-26 EP disclosed
EP-1965798-B1 USEFUL MONOBACTAM ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-10-19 EP disclosed
US-20110178291-A1 Process for the manufacture of bridged monobactam intermediates Basilea Pharmacuetica AG 2011-07-21 US disclosed
EP-2308874-A1 Useful beta-lactamase inhibitors Basilea Pharmaceutica AG (CH) 2011-04-13 EP disclosed
EP-2197881-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES Basilea Pharmaceutica AG (CH) 2010-06-23 EP disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
WO-2009037229-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2009-03-26 WO disclosed
US-20040204348-A1 Cyclic peptide ligands that target urokinase plasminogen activator receptor THE ANGSTROM PHARMACEUTICALS, INC. 2004-10-14 US disclosed
EP-1144604-A1 CYCLIC PEPTIDE LIGANDS THAT TARGET UROKINASE PLASMINOGEN ACTIVATOR RECEPTOR, THEIR PHARMACEUTICAL COMPOSITIONS AND USE Angstrom Pharmaceuticals, inc. (US) 2001-10-17 EP disclosed
US-6277818-B1 ANTITUMOR AGENT, ANTICANCER AGENTS ANGSTROM PHARMACEUTICALS, INC. 2001-08-21 US disclosed
WO-2000026353-A1 CYCLIC PEPTIDE LIGANDS THAT TARGET UROKINASE PLASMINOGEN ACTIVATOR RECEPTOR, THEIR PHARMACEUTICAL COMPOSITIONS AND USE ANGSTROM PHARMACEUTICALS, INC. (US) 2000-05-11 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES COASY, ACMSD, BPGM EPHX2 898/4885KMT2A 2978/4885FABP5 3132/4885
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M EPHX2 948/4885KMT2A 1169/4885FABP5 1978/4885
US-20160221992-A1 DENDRITIC COMPOUNDS INCLUDING A CHELATING, FLUOROCHROME OR RECOGNITION AGENT, COMPOSITIONS INCLUDING SAME AND USES THEREOF MSR1, CD74, CD4 EPHX2 1794/4885KMT2A 2340/4885FABP5 1927/4885
US-20040204348-A1 Cyclic peptide ligands that target urokinase plasminogen activator receptor PLAUR, PLAU, PLG EPHX2 2852/4885KMT2A 3792/4885FABP5 2014/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M EPHX2 948/4885KMT2A 1169/4885FABP5 1978/4885
US-20110178291-A1 Process for the manufacture of bridged monobactam intermediates C1S, CCNB1, C9 EPHX2 559/4885KMT2A 2484/4885FABP5 4677/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M EPHX2 906/4885KMT2A 1199/4885FABP5 1891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.